Ligand-based virtual screening is a well-known technique to find hits in the early stages of a drug discovery program. In ligand-based tools, similarity between compounds
Commercial chemical libraries have witnessed remarkable growth in recent years, resulting in an unprecedented increase in size and diversity. With advancements in high-throughput synthesis and
Ligand-based virtual screening is essential in modern drug discovery workflows and PharmScreen® has been shown to find novel molecules through its unique 3D representation of
3D quantum-mechanics, molecular descriptors, and artificial intelligence provide unique capabilities in the chemical space to identify and qualify novel hits PALO ALTO, Calif and BARCELONA,
An exponential growth of the accessible chemical space In the last years, there has been an exponential growth in commercial chemical libraries from millions to
Barcelona and Uppsala, March 2nd, 2023 – Pharmacelera, the leading provider of computational tools for hit discovery, and MODSIM Pharma AB, the leading provider of
Barcelona, January 27th, 2023 – Pharmacelera, the leading provider of computational tools for hit discovery, and Welab, the leading drug discovery and development platform is
Barcelona, Spain, and Kyiv, Ukraine, 15 December 2022. Pharmacelera, the leading provider of computational tools for hit discovery, and Enamine, the developer of REAL Database
By Enric Gibert On May 30th 2022, the Top500 High-Performance Computing (HPC) list revealed the first exa-scale HPC system ever constructed: the Frontier system at
By Enric Gibert In one of my trips to Boston, I found a very good introduction to neural networks and deep learning. The book, whose
By Giorgia Zaetta There are more than six hundred and seventy-five duodecillion possible chemical structures, but only a part of them, approximately 1060, are potential
By Ricardo Garcia The intersection of quantum computation and chemistry Many problems in chemistry have to do with quantum nature of electrons. Many of the
PharmScreen 2022.06 has been released! This new version includes some new and cool features like: Library prefiltering based on molecular properties: now you can prefilter
Sometimes, the solution space in search and optimization problems cannot be expressed as a tree / graph of options (see previous AI post) or it
DyNAbind and Pharmacelera are happy to announce a joint scientific collaboration in the fields of DNA-Encoded Libraries (DEL) and Artificial Intelligence (AI) for drug discovery.
As we explained in our previous post, Artificial Intelligence (AI) is more than Machine Learning (ML). Artificial Intelligence (AI) techniques include algorithms for finding optimal
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